Materials Data on RbP4N7 by Materials Project

doi:10.17188/1262555

Title: Materials Data on RbP4N7 by Materials Project

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Abstract

RbP4N7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to thirteen N3- atoms. There are a spread of Rb–N bond distances ranging from 2.98–3.52 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.59–1.75 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.58–1.74 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two P5+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Rb1+ and three P5+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three equivalent Rb1+ and two equivalent P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+ and two P5+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-505496

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; RbP4N7; N-P-Rb

OSTI Identifier:: 1262555

DOI:: https://doi.org/10.17188/1262555

Citation Formats


                    The Materials Project. Materials Data on RbP4N7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262555.

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                    The Materials Project. Materials Data on RbP4N7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262555

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                    The Materials Project. 2020.  
"Materials Data on RbP4N7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262555.  https://www.osti.gov/servlets/purl/1262555. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1262555,

  title        = {Materials Data on RbP4N7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbP4N7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to thirteen N3- atoms. There are a spread of Rb–N bond distances ranging from 2.98–3.52 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.59–1.75 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.58–1.74 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two P5+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Rb1+ and three P5+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three equivalent Rb1+ and two equivalent P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+ and two P5+ atoms.},

  doi          = {10.17188/1262555},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262555

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